Neothramycin A and neothramycin B
| Internal ID | cab3e2a8-07d5-4c4f-bacf-0960e6292bf4 |
| Taxonomy | Organoheterocyclic compounds > Benzodiazepines > 1,4-benzodiazepines > Pyrrolo[2,1-c][1,4]benzodiazepines |
| IUPAC Name | (6aS,9S)-3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;(6aS,9R)-3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/2C13H14N2O4/c2*1-19-11-4-8-9(5-10(11)16)14-6-7-2-3-12(17)15(7)13(8)18/h2*4-7,12,16-17H,2-3H2,1H3/t7-,12+;7-,12-/m00/s1 |
| InChI Key | DOZXCNCPKXGGBC-VKKUPAEUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28N4O8 |
| Molecular Weight | 524.50 g/mol |
| Exact Mass | 524.19071386 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | 0.00 |
| CHEMBL1986702 |
| Neothramycin A and neothramycin B |
| NSC-285223 |
| NCI60_002336 |
| PD011548 |
| 5H-Pyrrolo[2,4]benzodiazepin-5-one, 1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-, mixt. wtih 1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.08% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.99% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.59% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.72% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.12% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.02% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.12% | 91.11% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 88.54% | 95.53% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.43% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.29% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.97% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.65% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.30% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.21% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.71% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.26% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.94% | 96.77% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 323607 |
| LOTUS | LTS0221028 |
| wikiData | Q105104208 |